Artem Babenko

Harsha Vardhan Simhadri, George Williams, Martin Aumüller et al.

Despite the broad range of algorithms for Approximate Nearest Neighbor Search, most empirical evaluations of algorithms have focused on smaller datasets, typically of 1 million points~\citep{Benchmark}. However, deploying recent advances in embedding based techniques for search, recommendation and ranking at scale require ANNS indices at billion, trillion or larger scale. Barring a few recent papers, there is limited consensus on which algorithms are effective at this scale vis-à-vis their hardware cost. This competition compares ANNS algorithms at billion-scale by hardware cost, accuracy and performance. We set up an open source evaluation framework and leaderboards for both standardized and specialized hardware. The competition involves three tracks. The standard hardware track T1 evaluates algorithms on an Azure VM with limited DRAM, often the bottleneck in serving billion-scale indices, where the embedding data can be hundreds of GigaBytes in size. It uses FAISS~\citep{Faiss17} as the baseline. The standard hardware track T2 additional allows inexpensive SSDs in addition to the limited DRAM and uses DiskANN~\citep{DiskANN19} as the baseline. The specialized hardware track T3 allows any hardware configuration, and again uses FAISS as the baseline. We compiled six diverse billion-scale datasets, four newly released for this competition, that span a variety of modalities, data types, dimensions, deep learning models, distance functions and sources. The outcome of the competition was ranked leaderboards of algorithms in each track based on recall at a query throughput threshold. Additionally, for track T3, separate leaderboards were created based on recall as well as cost-normalized and power-normalized query throughput.

Oleg Platonov, Denis Kuznedelev, Michael Diskin et al.

Node classification is a classical graph machine learning task on which Graph Neural Networks (GNNs) have recently achieved strong results. However, it is often believed that standard GNNs only work well for homophilous graphs, i.e., graphs where edges tend to connect nodes of the same class. Graphs without this property are called heterophilous, and it is typically assumed that specialized methods are required to achieve strong performance on such graphs. In this work, we challenge this assumption. First, we show that the standard datasets used for evaluating heterophily-specific models have serious drawbacks, making results obtained by using them unreliable. The most significant of these drawbacks is the presence of a large number of duplicate nodes in the datasets Squirrel and Chameleon, which leads to train-test data leakage. We show that removing duplicate nodes strongly affects GNN performance on these datasets. Then, we propose a set of heterophilous graphs of varying properties that we believe can serve as a better benchmark for evaluating the performance of GNNs under heterophily. We show that standard GNNs achieve strong results on these heterophilous graphs, almost always outperforming specialized models. Our datasets and the code for reproducing our experiments are available at https://github.com/yandex-research/heterophilous-graphs

Akim Kotelnikov, Dmitry Baranchuk, Ivan Rubachev et al.

Denoising diffusion probabilistic models are currently becoming the leading paradigm of generative modeling for many important data modalities. Being the most prevalent in the computer vision community, diffusion models have also recently gained some attention in other domains, including speech, NLP, and graph-like data. In this work, we investigate if the framework of diffusion models can be advantageous for general tabular problems, where datapoints are typically represented by vectors of heterogeneous features. The inherent heterogeneity of tabular data makes it quite challenging for accurate modeling, since the individual features can be of completely different nature, i.e., some of them can be continuous and some of them can be discrete. To address such data types, we introduce TabDDPM -- a diffusion model that can be universally applied to any tabular dataset and handles any type of feature. We extensively evaluate TabDDPM on a wide set of benchmarks and demonstrate its superiority over existing GAN/VAE alternatives, which is consistent with the advantage of diffusion models in other fields. Additionally, we show that TabDDPM is eligible for privacy-oriented setups, where the original datapoints cannot be publicly shared.

Yury Gorishniy, Ivan Rubachev, Artem Babenko

Recently, Transformer-like deep architectures have shown strong performance on tabular data problems. Unlike traditional models, e.g., MLP, these architectures map scalar values of numerical features to high-dimensional embeddings before mixing them in the main backbone. In this work, we argue that embeddings for numerical features are an underexplored degree of freedom in tabular DL, which allows constructing more powerful DL models and competing with GBDT on some traditionally GBDT-friendly benchmarks. We start by describing two conceptually different approaches to building embedding modules: the first one is based on a piecewise linear encoding of scalar values, and the second one utilizes periodic activations. Then, we empirically demonstrate that these two approaches can lead to significant performance boosts compared to the embeddings based on conventional blocks such as linear layers and ReLU activations. Importantly, we also show that embedding numerical features is beneficial for many backbones, not only for Transformers. Specifically, after proper embeddings, simple MLP-like models can perform on par with the attention-based architectures. Overall, we highlight embeddings for numerical features as an important design aspect with good potential for further improvements in tabular DL.

Oleg Platonov, Denis Kuznedelev, Artem Babenko et al.

Homophily is a graph property describing the tendency of edges to connect similar nodes; the opposite is called heterophily. It is often believed that heterophilous graphs are challenging for standard message-passing graph neural networks (GNNs), and much effort has been put into developing efficient methods for this setting. However, there is no universally agreed-upon measure of homophily in the literature. In this work, we show that commonly used homophily measures have critical drawbacks preventing the comparison of homophily levels across different datasets. For this, we formalize desirable properties for a proper homophily measure and verify which measures satisfy which properties. In particular, we show that a measure that we call adjusted homophily satisfies more desirable properties than other popular homophily measures while being rarely used in graph machine learning literature. Then, we go beyond the homophily-heterophily dichotomy and propose a new characteristic that allows one to further distinguish different sorts of heterophily. The proposed label informativeness (LI) characterizes how much information a neighbor's label provides about a node's label. We prove that this measure satisfies important desirable properties. We also observe empirically that LI better agrees with GNN performance compared to homophily measures, which confirms that it is a useful characteristic of the graph structure.

Ivan Rubachev, Artem Alekberov, Yury Gorishniy et al.

Recent deep learning models for tabular data currently compete with the traditional ML models based on decision trees (GBDT). Unlike GBDT, deep models can additionally benefit from pretraining, which is a workhorse of DL for vision and NLP. For tabular problems, several pretraining methods were proposed, but it is not entirely clear if pretraining provides consistent noticeable improvements and what method should be used, since the methods are often not compared to each other or comparison is limited to the simplest MLP architectures. In this work, we aim to identify the best practices to pretrain tabular DL models that can be universally applied to different datasets and architectures. Among our findings, we show that using the object target labels during the pretraining stage is beneficial for the downstream performance and advocate several target-aware pretraining objectives. Overall, our experiments demonstrate that properly performed pretraining significantly increases the performance of tabular DL models, which often leads to their superiority over GBDTs.

Gleb Bazhenov, Denis Kuznedelev, Andrey Malinin et al.

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be especially complex since the samples are interdependent. To evaluate the performance of graph models, it is important to test them on diverse and meaningful distributional shifts. However, most graph benchmarks considering distributional shifts for node-level problems focus mainly on node features, while structural properties are also essential for graph problems. In this work, we propose a general approach for inducing diverse distributional shifts based on graph structure. We use this approach to create data splits according to several structural node properties: popularity, locality, and density. In our experiments, we thoroughly evaluate the proposed distributional shifts and show that they can be quite challenging for existing graph models. We also reveal that simple models often outperform more sophisticated methods on the considered structural shifts. Finally, our experiments provide evidence that there is a trade-off between the quality of learned representations for the base classification task under structural distributional shift and the ability to separate the nodes from different distributions using these representations.

Anton Voronov, Mikhail Khoroshikh, Artem Babenko et al.

Text-to-image generation models represent the next step of evolution in image synthesis, offering a natural way to achieve flexible yet fine-grained control over the result. One emerging area of research is the fast adaptation of large text-to-image models to smaller datasets or new visual concepts. However, many efficient methods of adaptation have a long training time, which limits their practical applications, slows down experiments, and spends excessive GPU resources. In this work, we study the training dynamics of popular text-to-image personalization methods (such as Textual Inversion or DreamBooth), aiming to speed them up. We observe that most concepts are learned at early stages and do not improve in quality later, but standard training convergence metrics fail to indicate that. Instead, we propose a simple drop-in early stopping criterion that only requires computing the regular training objective on a fixed set of inputs for all training iterations. Our experiments on Stable Diffusion for 48 different concepts and three personalization methods demonstrate the competitive performance of our approach, which makes adaptation up to 8 times faster with no significant drops in quality.

Nikita Starodubcev, Dmitry Baranchuk, Valentin Khrulkov et al.

Recent advances in diffusion models enable many powerful instruments for image editing. One of these instruments is text-driven image manipulations: editing semantic attributes of an image according to the provided text description. % Popular text-conditional diffusion models offer various high-quality image manipulation methods for a broad range of text prompts. Existing diffusion-based methods already achieve high-quality image manipulations for a broad range of text prompts. However, in practice, these methods require high computation costs even with a high-end GPU. This greatly limits potential real-world applications of diffusion-based image editing, especially when running on user devices. In this paper, we address efficiency of the recent text-driven editing methods based on unconditional diffusion models and develop a novel algorithm that learns image manipulations 4.5-10 times faster and applies them 8 times faster. We carefully evaluate the visual quality and expressiveness of our approach on multiple datasets using human annotators. Our experiments demonstrate that our algorithm achieves the quality of much more expensive methods. Finally, we show that our approach can adapt the pretrained model to the user-specified image and text description on the fly just for 4 seconds. In this setting, we notice that more compact unconditional diffusion models can be considered as a rational alternative to the popular text-conditional counterparts.

Yury Gorishniy, Ivan Rubachev, Nikolay Kartashev et al.

Deep learning (DL) models for tabular data problems (e.g. classification, regression) are currently receiving increasingly more attention from researchers. However, despite the recent efforts, the non-DL algorithms based on gradient-boosted decision trees (GBDT) remain a strong go-to solution for these problems. One of the research directions aimed at improving the position of tabular DL involves designing so-called retrieval-augmented models. For a target object, such models retrieve other objects (e.g. the nearest neighbors) from the available training data and use their features and labels to make a better prediction. In this work, we present TabR -- essentially, a feed-forward network with a custom k-Nearest-Neighbors-like component in the middle. On a set of public benchmarks with datasets up to several million objects, TabR marks a big step forward for tabular DL: it demonstrates the best average performance among tabular DL models, becomes the new state-of-the-art on several datasets, and even outperforms GBDT models on the recently proposed "GBDT-friendly" benchmark (see Figure 1). Among the important findings and technical details powering TabR, the main ones lie in the attention-like mechanism that is responsible for retrieving the nearest neighbors and extracting valuable signal from them. In addition to the much higher performance, TabR is simple and significantly more efficient compared to prior retrieval-based tabular DL models.

Yury Gorishniy, Ivan Rubachev, Dmitrii Feoktistov et al.

MLP is a heavily used backbone in modern deep learning (DL) architectures for supervised learning on tabular data, and AdamW is the go-to optimizer used to train tabular DL models. Unlike architecture design, however, the choice of optimizer for tabular DL has not been examined systematically, despite new optimizers showing promise in other domains. To fill this gap, we benchmark 15 optimizers on 17 tabular datasets for training MLP-based models in the standard supervised learning setting under a shared experiment protocol. Our main finding is that the Muon optimizer consistently outperforms AdamW, and thus should be considered a strong and practical choice for practitioners and researchers, if the associated training efficiency overhead is affordable. Additionally, we find exponential moving average of model weights to be a simple yet effective technique that improves AdamW on vanilla MLPs, though its effect is less consistent across model variants.

Nikita Starodubcev, Ilia Sudakov, Ilya Drobyshevskiy et al.

Vision Transformers (ViTs) are known to exhibit high-norm patch-token outliers that degrade feature map quality, a problem effectively mitigated by \textit{register tokens}. As diffusion models increasingly adopt transformer architectures and move toward pixel-space training, they become closer in form to ViTs, raising the question of whether register tokens are also useful for Diffusion Transformers (DiTs). In this work, we show that DiTs differ from ViTs in a key respect: they do not exhibit patch-token outliers. Interestingly, register tokens significantly improve convergence and generation quality of pixel-space DiTs. By analyzing intermediate representations, we find that register tokens produce cleaner feature maps at high noise levels, which may contribute to their effectiveness in pixel-space generation. We further observe that recent pixel-space DiT architectures implicitly incorporate register-like mechanisms, which may partially account for their strong empirical performance. Motivated by these insights, we investigate a parameter-efficient dual-stream architecture that specializes processing for register tokens and improves pixel-space generation quality with negligible runtime overhead.

Ilia Sudakov, Artem Babenko, Dmitry Baranchuk

Class-conditional generative models have emerged as accurate and robust classifiers, with diffusion models demonstrating clear advantages over other visual generative paradigms, including autoregressive (AR) models. In this work, we revisit visual AR-based generative classifiers and identify an important limitation of prior approaches: their reliance on a fixed token order, which imposes a restrictive inductive bias for image understanding. We observe that single-order predictions rely more on partial discriminative cues, while averaging over multiple token orders provides a more comprehensive signal. Based on this insight, we leverage recent any-order AR models to estimate order-marginalized predictions, unlocking the high classification potential of AR models. Our approach consistently outperforms diffusion-based classifiers across diverse image classification benchmarks, while being up to 25x more efficient. Compared to state-of-the-art self-supervised discriminative models, our method delivers competitive classification performance - a notable achievement for generative classifiers.

Vage Egiazarian, Andrei Panferov, Denis Kuznedelev et al.

The emergence of accurate open large language models (LLMs) has led to a race towards performant quantization techniques which can enable their execution on end-user devices. In this paper, we revisit the problem of "extreme" LLM compression-defined as targeting extremely low bit counts, such as 2 to 3 bits per parameter-from the point of view of classic methods in Multi-Codebook Quantization (MCQ). Our algorithm, called AQLM, generalizes the classic Additive Quantization (AQ) approach for information retrieval to advance the state-of-the-art in LLM compression, via two innovations: 1) learned additive quantization of weight matrices in input-adaptive fashion, and 2) joint optimization of codebook parameters across each transformer blocks. Broadly, AQLM is the first scheme that is Pareto optimal in terms of accuracy-vs-model-size when compressing to less than 3 bits per parameter, and significantly improves upon all known schemes in the extreme compression (2bit) regime. In addition, AQLM is practical: we provide fast GPU and CPU implementations of AQLM for token generation, which enable us to match or outperform optimized FP16 implementations for speed, while executing in a much smaller memory footprint.

Sergei Popov, Stanislav Morozov, Artem Babenko

Nowadays, deep neural networks (DNNs) have become the main instrument for machine learning tasks within a wide range of domains, including vision, NLP, and speech. Meanwhile, in an important case of heterogenous tabular data, the advantage of DNNs over shallow counterparts remains questionable. In particular, there is no sufficient evidence that deep learning machinery allows constructing methods that outperform gradient boosting decision trees (GBDT), which are often the top choice for tabular problems. In this paper, we introduce Neural Oblivious Decision Ensembles (NODE), a new deep learning architecture, designed to work with any tabular data. In a nutshell, the proposed NODE architecture generalizes ensembles of oblivious decision trees, but benefits from both end-to-end gradient-based optimization and the power of multi-layer hierarchical representation learning. With an extensive experimental comparison to the leading GBDT packages on a large number of tabular datasets, we demonstrate the advantage of the proposed NODE architecture, which outperforms the competitors on most of the tasks. We open-source the PyTorch implementation of NODE and believe that it will become a universal framework for machine learning on tabular data.

Stanislav Morozov, Artem Babenko

In plenty of machine learning applications, the most relevant items for a particular query should be efficiently extracted, while the relevance function is based on a highly-nonlinear model, e.g., DNNs or GBDTs. Due to the high computational complexity of such models, exhaustive search is infeasible even for medium-scale problems. To address this issue, we introduce Relevance Proximity Graphs (RPG): an efficient non-exhaustive approach that provides a high-quality approximate solution for maximal relevance retrieval. Namely, we extend the recent similarity graphs framework to the setting, when there is no similarity measure defined on item pairs, which is a common practical use-case. By design, our approach directly maximizes off-the-shelf relevance functions and does not require any proxy auxiliary models. Via extensive experiments, we show that the developed method provides excellent retrieval accuracy while requiring only a few model computations, outperforming indirect models. We open-source our implementation as well as two large-scale datasets to support further research on relevance retrieval.

Yury Gorishniy, Akim Kotelnikov, Artem Babenko

Deep learning architectures for supervised learning on tabular data range from simple multilayer perceptrons (MLP) to sophisticated Transformers and retrieval-augmented methods. This study highlights a major, yet so far overlooked opportunity for designing substantially better MLP-based tabular architectures. Namely, our new model TabM relies on efficient ensembling, where one TabM efficiently imitates an ensemble of MLPs and produces multiple predictions per object. Compared to a traditional deep ensemble, in TabM, the underlying implicit MLPs are trained simultaneously, and (by default) share most of their parameters, which results in significantly better performance and efficiency. Using TabM as a new baseline, we perform a large-scale evaluation of tabular DL architectures on public benchmarks in terms of both task performance and efficiency, which renders the landscape of tabular DL in a new light. Generally, we show that MLPs, including TabM, form a line of stronger and more practical models compared to attention- and retrieval-based architectures. In particular, we find that TabM demonstrates the best performance among tabular DL models. Then, we conduct an empirical analysis on the ensemble-like nature of TabM. We observe that the multiple predictions of TabM are weak individually, but powerful collectively. Overall, our work brings an impactful technique to tabular DL and advances the performance-efficiency trade-off with TabM -- a simple and powerful baseline for researchers and practitioners.

Nikita Starodubcev, Artem Fedorov, Artem Babenko et al.

Knowledge distillation methods have recently shown to be a promising direction to speedup the synthesis of large-scale diffusion models by requiring only a few inference steps. While several powerful distillation methods were recently proposed, the overall quality of student samples is typically lower compared to the teacher ones, which hinders their practical usage. In this work, we investigate the relative quality of samples produced by the teacher text-to-image diffusion model and its distilled student version. As our main empirical finding, we discover that a noticeable portion of student samples exhibit superior fidelity compared to the teacher ones, despite the "approximate" nature of the student. Based on this finding, we propose an adaptive collaboration between student and teacher diffusion models for effective text-to-image synthesis. Specifically, the distilled model produces the initial sample, and then an oracle decides whether it needs further improvements with a slow teacher model. Extensive experiments demonstrate that the designed pipeline surpasses state-of-the-art text-to-image alternatives for various inference budgets in terms of human preference. Furthermore, the proposed approach can be naturally used in popular applications such as text-guided image editing and controllable generation.

Dmitry Eremeev, Gleb Bazhenov, Oleg Platonov et al.

While foundation models have revolutionized such fields as natural language processing and computer vision, their potential in graph machine learning remains largely unexplored. One of the key challenges in designing graph foundation models (GFMs) is handling diverse node features that can vary across different graph datasets. While many works on GFMs have focused exclusively on text-attributed graphs, the problem of handling arbitrary features of other types in GFMs has not been fully addressed. However, this problem is not unique to the graph domain, as it also arises in the field of machine learning for tabular data. In this work, motivated by the recent success of tabular foundation models (TFMs) like TabPFNv2 or LimiX, we propose G2T-FM, a simple framework for turning tabular foundation models into graph foundation models. Specifically, G2T-FM augments the original node features with neighborhood feature aggregation, adds structural embeddings, and then applies a TFM to the constructed node representations. Even in a fully in-context regime, our model achieves strong results, significantly outperforming publicly available GFMs and performing competitively with, and often better than, well-tuned GNNs trained from scratch. Moreover, after finetuning, G2T-FM surpasses well-tuned GNN baselines. In particular, when combined with LimiX, G2T-FM often outperforms the best GNN by a significant margin. In summary, our paper reveals the potential of a previously overlooked direction of utilizing tabular foundation models for graph machine learning tasks.

Ivan Rubachev, Akim Kotelnikov, Nikolay Kartashev et al.

Foundation models are an emerging research direction in tabular deep learning. Notably, TabPFNv2 recently claimed superior performance over traditional GBDT-based methods on small-scale datasets using an in-context learning paradigm, which does not adapt model parameters to target datasets. However, the optimal finetuning approach for adapting tabular foundational models, and how this adaptation reshapes their internal mechanisms, remains underexplored. While prior works studied finetuning for earlier foundational models, inconsistent findings and TabPFNv2's unique architecture necessitate fresh investigation. To address these questions, we first systematically evaluate various finetuning strategies on diverse datasets. Our findings establish full finetuning as the most practical solution for TabPFNv2 in terms of time-efficiency and effectiveness. We then investigate how finetuning alters TabPFNv2's inner mechanisms, drawing an analogy to retrieval-augmented models. We reveal that the success of finetuning stems from the fact that after gradient-based adaptation, the dot products of the query-representations of test objects and the key-representations of in-context training objects more accurately reflect their target similarity. This improved similarity allows finetuned TabPFNv2 to better approximate target dependency by appropriately weighting relevant in-context samples, improving the retrieval-based prediction logic. From the practical perspective, we managed to finetune TabPFNv2 on datasets with up to 50K objects, observing performance improvements on almost all tasks. More precisely, on academic datasets with I.I.D. splits, finetuning allows TabPFNv2 to achieve state-of-the-art results, while on datasets with gradual temporal shifts and rich feature sets, TabPFNv2 is less stable and prior methods remain better.

Nikita Starodubcev, Denis Kuznedelev, Artem Babenko et al.

We present SwD, a scale-wise distillation framework for diffusion models (DMs), which effectively employs next-scale prediction ideas for diffusion-based few-step generators. In more detail, SwD is inspired by the recent insights relating diffusion processes to the implicit spectral autoregression. We suppose that DMs can initiate generation at lower data resolutions and gradually upscale the samples at each denoising step without loss in performance while significantly reducing computational costs. SwD naturally integrates this idea into existing diffusion distillation methods based on distribution matching. Also, we enrich the family of distribution matching approaches by introducing a novel patch loss enforcing finer-grained similarity to the target distribution. When applied to state-of-the-art text-to-image diffusion models, SwD approaches the inference times of two full resolution steps and significantly outperforms the counterparts under the same computation budget, as evidenced by automated metrics and human preference studies.

Sergey Kastryulin, Artem Konev, Alexander Shishenya et al.

In the rapidly progressing field of generative models, the development of efficient and high-fidelity text-to-image diffusion systems represents a significant frontier. This study introduces YaART, a novel production-grade text-to-image cascaded diffusion model aligned to human preferences using Reinforcement Learning from Human Feedback (RLHF). During the development of YaART, we especially focus on the choices of the model and training dataset sizes, the aspects that were not systematically investigated for text-to-image cascaded diffusion models before. In particular, we comprehensively analyze how these choices affect both the efficiency of the training process and the quality of the generated images, which are highly important in practice. Furthermore, we demonstrate that models trained on smaller datasets of higher-quality images can successfully compete with those trained on larger datasets, establishing a more efficient scenario of diffusion models training. From the quality perspective, YaART is consistently preferred by users over many existing state-of-the-art models.

Dmitry Eremeev, Oleg Platonov, Gleb Bazhenov et al.

Foundation models pretrained on large-scale datasets have transformed such fields as natural language processing and computer vision, but their application to graph data remains limited. Recently emerged graph foundation models, such as G2T-FM, utilize tabular foundation models for graph tasks and were shown to significantly outperform prior attempts to create GFMs. However, these models primarily rely on hand-crafted graph features, limiting their ability to learn complex graph-specific patterns. In this work, we propose GraphPFN: a prior-data fitted network for node-level prediction. First, we design a prior distribution of synthetic attributed graphs. For graph structure generation, we use a novel combination of multiple stochastic block models and a preferential attachment process. We then apply graph-aware structured causal models to generate node attributes and targets. This procedure allows us to efficiently generate a wide range of realistic graph datasets. Then, we augment the tabular foundation model LimiX with attention-based graph neighborhood aggregation layers and train it on synthetic graphs sampled from our prior, allowing the model to capture graph structural dependencies not present in tabular data. On diverse real-world graph datasets with up to 50,000 nodes, GraphPFN shows strong in-context learning performance and achieves state-of-the-art results after finetuning, outperforming both G2T-FM and task-specific GNNs trained from scratch on most datasets. More broadly, our work demonstrates that pretraining on synthetic graphs from a well-designed prior distribution is an effective strategy for building graph foundation models.

George Yakushev, Alina Shutova, Ivan Rubachev et al.

Tabular foundation models are becoming increasingly popular for low-resource tabular problems. These models make up for small training datasets by pretraining on large volumes of synthetic data. The prior knowledge obtained via pretraining provides the exceptional performance, but the resulting model becomes a black box that is difficult to interpret and costly to inference. In this work, we explore an alternative strategy: using reasoning-capable LLMs to induce decision trees for small tabular datasets in agentic setup. We design a minimal set of tools for constructing, analyzing and manipulating decision trees. By using these tools, LLMs combine their prior knowledge with learning from data to create a lightweight decision tree that outperforms traditional CART on low-resource tabular problems. While a single decision tree does not outperform state-of-the-art black box models, it comes with a human-readable reasoning trace that can be checked for biases and data leaks. Furthermore, the reasoning-based LLM's creation process allows for additional human input: correcting biases or incorporating domain-specific intuition that is not captured in the data.

Nikolay Kartashev, Ivan Rubachev, Artem Babenko

Recent advancements in tabular deep learning have demonstrated exceptional practical performance, yet the field often lacks a clear understanding of why these techniques actually succeed. To address this gap, our paper highlights the importance of the concept of data uncertainty for explaining the effectiveness of the recent tabular DL methods. In particular, we reveal that the success of many beneficial design choices in tabular DL, such as numerical feature embeddings, retrieval-augmented models and advanced ensembling strategies, can be largely attributed to their implicit mechanisms for managing high data uncertainty. By dissecting these mechanisms, we provide a unifying understanding of the recent performance improvements. Furthermore, the insights derived from this data-uncertainty perspective directly allowed us to develop more effective numerical feature embeddings as an immediate practical outcome of our analysis. Overall, our work paves the way to foundational understanding of the benefits introduced by modern tabular methods that results in the concrete advancements of existing techniques and outlines future research directions for tabular DL.

Ivan Rubachev, Nikolay Kartashev, Yury Gorishniy et al.

Advances in machine learning research drive progress in real-world applications. To ensure this progress, it is important to understand the potential pitfalls on the way from a novel method's success on academic benchmarks to its practical deployment. In this work, we analyze existing tabular benchmarks and find two common characteristics of tabular data in typical industrial applications that are underrepresented in the datasets usually used for evaluation in the literature. First, in real-world deployment scenarios, distribution of data often changes over time. To account for this distribution drift, time-based train/test splits should be used in evaluation. However, popular tabular datasets often lack timestamp metadata to enable such evaluation. Second, a considerable portion of datasets in production settings stem from extensive data acquisition and feature engineering pipelines. This can have an impact on the absolute and relative number of predictive, uninformative, and correlated features compared to academic datasets. In this work, we aim to understand how recent research advances in tabular deep learning transfer to these underrepresented conditions. To this end, we introduce TabReD -- a collection of eight industry-grade tabular datasets. We reassess a large number of tabular ML models and techniques on TabReD. We demonstrate that evaluation on time-based data splits leads to different methods ranking, compared to evaluation on random splits, which are common in current benchmarks. Furthermore, simple MLP-like architectures and GBDT show the best results on the TabReD datasets, while other methods are less effective in the new setting.

Nikita Starodubcev, Mikhail Khoroshikh, Artem Babenko et al.

Diffusion distillation represents a highly promising direction for achieving faithful text-to-image generation in a few sampling steps. However, despite recent successes, existing distilled models still do not provide the full spectrum of diffusion abilities, such as real image inversion, which enables many precise image manipulation methods. This work aims to enrich distilled text-to-image diffusion models with the ability to effectively encode real images into their latent space. To this end, we introduce invertible Consistency Distillation (iCD), a generalized consistency distillation framework that facilitates both high-quality image synthesis and accurate image encoding in only 3-4 inference steps. Though the inversion problem for text-to-image diffusion models gets exacerbated by high classifier-free guidance scales, we notice that dynamic guidance significantly reduces reconstruction errors without noticeable degradation in generation performance. As a result, we demonstrate that iCD equipped with dynamic guidance may serve as a highly effective tool for zero-shot text-guided image editing, competing with more expensive state-of-the-art alternatives.

Sergey Kastryulin, Denis Prokopenko, Artem Babenko et al.

This paper introduces a new data-driven, non-parametric method for image quality and aesthetics assessment, surpassing existing approaches and requiring no prompt engineering or fine-tuning. We eliminate the need for expressive textual embeddings by proposing efficient image anchors in the data. Through extensive evaluations of 7 state-of-the-art self-supervised models, our method demonstrates superior performance and robustness across various datasets and benchmarks. Notably, it achieves high agreement with human assessments even with limited data and shows high robustness to the nature of data and their pre-processing pipeline. Our contributions offer a streamlined solution for assessment of images while providing insights into the perception of visual information.

Timofey Grigoryev, Andrey Voynov, Artem Babenko

The literature has proposed several methods to finetune pretrained GANs on new datasets, which typically results in higher performance compared to training from scratch, especially in the limited-data regime. However, despite the apparent empirical benefits of GAN pretraining, its inner mechanisms were not analyzed in-depth, and understanding of its role is not entirely clear. Moreover, the essential practical details, e.g., selecting a proper pretrained GAN checkpoint, currently do not have rigorous grounding and are typically determined by trial and error. This work aims to dissect the process of GAN finetuning. First, we show that initializing the GAN training process by a pretrained checkpoint primarily affects the model's coverage rather than the fidelity of individual samples. Second, we explicitly describe how pretrained generators and discriminators contribute to the finetuning process and explain the previous evidence on the importance of pretraining both of them. Finally, as an immediate practical benefit of our analysis, we describe a simple recipe to choose an appropriate GAN checkpoint that is the most suitable for finetuning to a particular target task. Importantly, for most of the target tasks, Imagenet-pretrained GAN, despite having poor visual quality, appears to be an excellent starting point for finetuning, resembling the typical pretraining scenario of discriminative computer vision models.

Dmitry Baranchuk, Ivan Rubachev, Andrey Voynov et al.

Denoising diffusion probabilistic models have recently received much research attention since they outperform alternative approaches, such as GANs, and currently provide state-of-the-art generative performance. The superior performance of diffusion models has made them an appealing tool in several applications, including inpainting, super-resolution, and semantic editing. In this paper, we demonstrate that diffusion models can also serve as an instrument for semantic segmentation, especially in the setup when labeled data is scarce. In particular, for several pretrained diffusion models, we investigate the intermediate activations from the networks that perform the Markov step of the reverse diffusion process. We show that these activations effectively capture the semantic information from an input image and appear to be excellent pixel-level representations for the segmentation problem. Based on these observations, we describe a simple segmentation method, which can work even if only a few training images are provided. Our approach significantly outperforms the existing alternatives on several datasets for the same amount of human supervision.

Valentin Khrulkov, Leyla Mirvakhabova, Ivan Oseledets et al.

Recent advances in high-fidelity semantic image editing heavily rely on the presumably disentangled latent spaces of the state-of-the-art generative models, such as StyleGAN. Specifically, recent works show that it is possible to achieve decent controllability of attributes in face images via linear shifts along with latent directions. Several recent methods address the discovery of such directions, implicitly assuming that the state-of-the-art GANs learn the latent spaces with inherently linearly separable attribute distributions and semantic vector arithmetic properties. In our work, we show that nonlinear latent code manipulations realized as flows of a trainable Neural ODE are beneficial for many practical non-face image domains with more complex non-textured factors of variation. In particular, we investigate a large number of datasets with known attributes and demonstrate that certain attribute manipulations are challenging to obtain with linear shifts only.

Dmitry Baranchuk, Vladimir Aliev, Artem Babenko

Normalizing flows are a powerful class of generative models demonstrating strong performance in several speech and vision problems. In contrast to other generative models, normalizing flows are latent variable models with tractable likelihoods and allow for stable training. However, they have to be carefully designed to represent invertible functions with efficient Jacobian determinant calculation. In practice, these requirements lead to overparameterized and sophisticated architectures that are inferior to alternative feed-forward models in terms of inference time and memory consumption. In this work, we investigate whether one can distill flow-based models into more efficient alternatives. We provide a positive answer to this question by proposing a simple distillation approach and demonstrating its effectiveness on state-of-the-art conditional flow-based models for image super-resolution and speech synthesis.

Yury Gorishniy, Ivan Rubachev, Valentin Khrulkov et al.

The existing literature on deep learning for tabular data proposes a wide range of novel architectures and reports competitive results on various datasets. However, the proposed models are usually not properly compared to each other and existing works often use different benchmarks and experiment protocols. As a result, it is unclear for both researchers and practitioners what models perform best. Additionally, the field still lacks effective baselines, that is, the easy-to-use models that provide competitive performance across different problems. In this work, we perform an overview of the main families of DL architectures for tabular data and raise the bar of baselines in tabular DL by identifying two simple and powerful deep architectures. The first one is a ResNet-like architecture which turns out to be a strong baseline that is often missing in prior works. The second model is our simple adaptation of the Transformer architecture for tabular data, which outperforms other solutions on most tasks. Both models are compared to many existing architectures on a diverse set of tasks under the same training and tuning protocols. We also compare the best DL models with Gradient Boosted Decision Trees and conclude that there is still no universally superior solution.

Valentin Khrulkov, Leyla Mirvakhabova, Ivan Oseledets et al.

Constructing disentangled representations is known to be a difficult task, especially in the unsupervised scenario. The dominating paradigm of unsupervised disentanglement is currently to train a generative model that separates different factors of variation in its latent space. This separation is typically enforced by training with specific regularization terms in the model's objective function. These terms, however, introduce additional hyperparameters responsible for the trade-off between disentanglement and generation quality. While tuning these hyperparameters is crucial for proper disentanglement, it is often unclear how to tune them without external supervision. This paper investigates an alternative route to disentangled representations. Namely, we propose to extract such representations from the state-of-the-art generative models trained without disentangling terms in their objectives. This paradigm of post hoc disentanglement employs little or no hyperparameters when learning representations while achieving results on par with existing state-of-the-art, as shown by comparison in terms of established disentanglement metrics, fairness, and the abstract reasoning task. All our code and models are publicly available.

Valentin Khrulkov, Artem Babenko, Ivan Oseledets

Recent work demonstrated the benefits of studying continuous-time dynamics governing the GAN training. However, this dynamics is analyzed in the model parameter space, which results in finite-dimensional dynamical systems. We propose a novel perspective where we study the local dynamics of adversarial training in the general functional space and show how it can be represented as a system of partial differential equations. Thus, the convergence properties can be inferred from the eigenvalues of the resulting differential operator. We show that these eigenvalues can be efficiently estimated from the target dataset before training. Our perspective reveals several insights on the practical tricks commonly used to stabilize GANs, such as gradient penalty, data augmentation, and advanced integration schemes. As an immediate practical benefit, we demonstrate how one can a priori select an optimal data augmentation strategy for a particular generation task.

Anton Cherepkov, Andrey Voynov, Artem Babenko

Generative Adversarial Networks (GANs) are currently an indispensable tool for visual editing, being a standard component of image-to-image translation and image restoration pipelines. Furthermore, GANs are especially useful for controllable generation since their latent spaces contain a wide range of interpretable directions, well suited for semantic editing operations. By gradually changing latent codes along these directions, one can produce impressive visual effects, unattainable without GANs. In this paper, we significantly expand the range of visual effects achievable with the state-of-the-art models, like StyleGAN2. In contrast to existing works, which mostly operate by latent codes, we discover interpretable directions in the space of the generator parameters. By several simple methods, we explore this space and demonstrate that it also contains a plethora of interpretable directions, which are an excellent source of non-trivial semantic manipulations. The discovered manipulations cannot be achieved by transforming the latent codes and can be used to edit both synthetic and real images. We release our code and models and hope they will serve as a handy tool for further efforts on GAN-based image editing.

Andrey Voynov, Stanislav Morozov, Artem Babenko

The recent rise of unsupervised and self-supervised learning has dramatically reduced the dependency on labeled data, providing effective image representations for transfer to downstream vision tasks. Furthermore, recent works employed these representations in a fully unsupervised setup for image classification, reducing the need for human labels on the fine-tuning stage as well. This work demonstrates that large-scale unsupervised models can also perform a more challenging object segmentation task, requiring neither pixel-level nor image-level labeling. Namely, we show that recent unsupervised GANs allow to differentiate between foreground/background pixels, providing high-quality saliency masks. By extensive comparison on standard benchmarks, we outperform existing unsupervised alternatives for object segmentation, achieving new state-of-the-art.

Anton Sinitsin, Vsevolod Plokhotnyuk, Dmitriy Pyrkin et al.

These days deep neural networks are ubiquitously used in a wide range of tasks, from image classification and machine translation to face identification and self-driving cars. In many applications, a single model error can lead to devastating financial, reputational and even life-threatening consequences. Therefore, it is crucially important to correct model mistakes quickly as they appear. In this work, we investigate the problem of neural network editing $-$ how one can efficiently patch a mistake of the model on a particular sample, without influencing the model behavior on other samples. Namely, we propose Editable Training, a model-agnostic training technique that encourages fast editing of the trained model. We empirically demonstrate the effectiveness of this method on large-scale image classification and machine translation tasks.

Andrey Voynov, Artem Babenko

The latent spaces of GAN models often have semantically meaningful directions. Moving in these directions corresponds to human-interpretable image transformations, such as zooming or recoloring, enabling a more controllable generation process. However, the discovery of such directions is currently performed in a supervised manner, requiring human labels, pretrained models, or some form of self-supervision. These requirements severely restrict a range of directions existing approaches can discover. In this paper, we introduce an unsupervised method to identify interpretable directions in the latent space of a pretrained GAN model. By a simple model-agnostic procedure, we find directions corresponding to sensible semantic manipulations without any form of (self-)supervision. Furthermore, we reveal several non-trivial findings, which would be difficult to obtain by existing methods, e.g., a direction corresponding to background removal. As an immediate practical benefit of our work, we show how to exploit this finding to achieve competitive performance for weakly-supervised saliency detection.

Andrey Voynov, Artem Babenko

In this paper, we introduce Random Path Generative Adversarial Network (RPGAN) -- an alternative design of GANs that can serve as a tool for generative model analysis. While the latent space of a typical GAN consists of input vectors, randomly sampled from the standard Gaussian distribution, the latent space of RPGAN consists of random paths in a generator network. As we show, this design allows to understand factors of variation, captured by different generator layers, providing their natural interpretability. With experiments on standard benchmarks, we demonstrate that RPGAN reveals several interesting insights about the roles that different layers play in the image generation process. Aside from interpretability, the RPGAN model also provides competitive generation quality and allows efficient incremental learning on new data.

Dmitry Baranchuk, Artem Babenko

Similarity graphs are an active research direction for the nearest neighbor search (NNS) problem. New algorithms for similarity graph construction are continuously being proposed and analyzed by both theoreticians and practitioners. However, existing construction algorithms are mostly based on heuristics and do not explicitly maximize the target performance measure, i.e., search recall. Therefore, at the moment it is not clear whether the performance of similarity graphs has plateaued or more effective graphs can be constructed with more theoretically grounded methods. In this paper, we introduce a new principled algorithm, based on adjacency matrix optimization, which explicitly maximizes search efficiency. Namely, we propose a probabilistic model of a similarity graph defined in terms of its edge probabilities and show how to learn these probabilities from data as a reinforcement learning task. As confirmed by experiments, the proposed construction method can be used to refine the state-of-the-art similarity graphs, achieving higher recall rates for the same number of distance computations. Furthermore, we analyze the learned graphs and reveal the structural properties that are responsible for more efficient search.

Denis Mazur, Vage Egiazarian, Stanislav Morozov et al.

Learning useful representations is a key ingredient to the success of modern machine learning. Currently, representation learning mostly relies on embedding data into Euclidean space. However, recent work has shown that data in some domains is better modeled by non-euclidean metric spaces, and inappropriate geometry can result in inferior performance. In this paper, we aim to eliminate the inductive bias imposed by the embedding space geometry. Namely, we propose to map data into more general non-vector metric spaces: a weighted graph with a shortest path distance. By design, such graphs can model arbitrary geometry with a proper configuration of edges and weights. Our main contribution is PRODIGE: a method that learns a weighted graph representation of data end-to-end by gradient descent. Greater generality and fewer model assumptions make PRODIGE more powerful than existing embedding-based approaches. We confirm the superiority of our method via extensive experiments on a wide range of tasks, including classification, compression, and collaborative filtering.

Stanislav Morozov, Artem Babenko

We tackle the problem of unsupervised visual descriptors compression, which is a key ingredient of large-scale image retrieval systems. While the deep learning machinery has benefited literally all computer vision pipelines, the existing state-of-the-art compression methods employ shallow architectures, and we aim to close this gap by our paper. In more detail, we introduce a DNN architecture for the unsupervised compressed-domain retrieval, based on multi-codebook quantization. The proposed architecture is designed to incorporate both fast data encoding and efficient distances computation via lookup tables. We demonstrate the exceptional advantage of our scheme over existing quantization approaches on several datasets of visual descriptors via outperforming the previous state-of-the-art by a large margin.

Dmitry Baranchuk, Dmitry Persiyanov, Anton Sinitsin et al.

Recently similarity graphs became the leading paradigm for efficient nearest neighbor search, outperforming traditional tree-based and LSH-based methods. Similarity graphs perform the search via greedy routing: a query traverses the graph and in each vertex moves to the adjacent vertex that is the closest to this query. In practice, similarity graphs are often susceptible to local minima, when queries do not reach its nearest neighbors, getting stuck in suboptimal vertices. In this paper we propose to learn the routing function that overcomes local minima via incorporating information about the graph global structure. In particular, we augment the vertices of a given graph with additional representations that are learned to provide the optimal routing from the start vertex to the query nearest neighbor. By thorough experiments, we demonstrate that the proposed learnable routing successfully diminishes the local minima problem and significantly improves the overall search performance.

Vadim Lebedev, Artem Babenko, Victor Lempitsky

In this work we introduce impostor networks, an architecture that allows to perform fine-grained recognition with high accuracy and using a light-weight convolutional network, making it particularly suitable for fine-grained applications on low-power and non-GPU enabled platforms. Impostor networks compensate for the lightness of its `backend' network by combining it with a lightweight non-parametric classifier. The combination of a convolutional network and such non-parametric classifier is trained in an end-to-end fashion. Similarly to convolutional neural networks, impostor networks can fit large-scale training datasets very well, while also being able to generalize to new data points. At the same time, the bulk of computations within impostor networks happen through nearest neighbor search in high-dimensions. Such search can be performed efficiently on a variety of architectures including standard CPUs, where deep convolutional networks are inefficient. In a series of experiments with three fine-grained datasets, we show that impostor networks are able to boost the classification accuracy of a moderate-sized convolutional network considerably at a very small computational cost.

Dmitry Baranchuk, Artem Babenko, Yury Malkov

This work addresses the problem of billion-scale nearest neighbor search. The state-of-the-art retrieval systems for billion-scale databases are currently based on the inverted multi-index, the recently proposed generalization of the inverted index structure. The multi-index provides a very fine-grained partition of the feature space that allows extracting concise and accurate short-lists of candidates for the search queries. In this paper, we argue that the potential of the simple inverted index was not fully exploited in previous works and advocate its usage both for the highly-entangled deep descriptors and relatively disentangled SIFT descriptors. We introduce a new retrieval system that is based on the inverted index and outperforms the multi-index by a large margin for the same memory consumption and construction complexity. For example, our system achieves the state-of-the-art recall rates several times faster on the dataset of one billion deep descriptors compared to the efficient implementation of the inverted multi-index from the FAISS library.

Artem Babenko, Relja Arandjelović, Victor Lempitsky

We consider the task of lossy compression of high-dimensional vectors through quantization. We propose the approach that learns quantization parameters by minimizing the distortion of scalar products and squared distances between pairs of points. This is in contrast to previous works that obtain these parameters through the minimization of the reconstruction error of individual points. The proposed approach proceeds by finding a linear transformation of the data that effectively reduces the minimization of the pairwise distortions to the minimization of individual reconstruction errors. After such transformation, any of the previously-proposed quantization approaches can be used. Despite the simplicity of this transformation, the experiments demonstrate that it achieves considerable reduction of the pairwise distortions compared to applying quantization directly to the untransformed data.

Artem Babenko, Victor Lempitsky

Several recent works have shown that image descriptors produced by deep convolutional neural networks provide state-of-the-art performance for image classification and retrieval problems. It has also been shown that the activations from the convolutional layers can be interpreted as local features describing particular image regions. These local features can be aggregated using aggregation approaches developed for local features (e.g. Fisher vectors), thus providing new powerful global descriptors. In this paper we investigate possible ways to aggregate local deep features to produce compact global descriptors for image retrieval. First, we show that deep features and traditional hand-engineered features have quite different distributions of pairwise similarities, hence existing aggregation methods have to be carefully re-evaluated. Such re-evaluation reveals that in contrast to shallow features, the simple aggregation method based on sum pooling provides arguably the best performance for deep convolutional features. This method is efficient, has few parameters, and bears little risk of overfitting when e.g. learning the PCA matrix. Overall, the new compact global descriptor improves the state-of-the-art on four common benchmarks considerably.

Artem Babenko, Victor Lempitsky

The top-performing systems for billion-scale high-dimensional approximate nearest neighbor (ANN) search are all based on two-layer architectures that include an indexing structure and a compressed datapoints layer. An indexing structure is crucial as it allows to avoid exhaustive search, while the lossy data compression is needed to fit the dataset into RAM. Several of the most successful systems use product quantization (PQ) for both the indexing and the dataset compression layers. These systems are however limited in the way they exploit the interaction of product quantization processes that happen at different stages of these systems. Here we introduce and evaluate two approximate nearest neighbor search systems that both exploit the synergy of product quantization processes in a more efficient way. The first system, called Fast Bilayer Product Quantization (FBPQ), speeds up the runtime of the baseline system (Multi-D-ADC) by several times, while achieving the same accuracy. The second system, Hierarchical Bilayer Product Quantization (HBPQ) provides a significantly better recall for the same runtime at a cost of small memory footprint increase. For the BIGANN dataset of billion SIFT descriptors, the 10% increase in Recall@1 and the 17% increase in Recall@10 is observed.

Artem Babenko, Anton Slesarev, Alexandr Chigorin et al.

It has been shown that the activations invoked by an image within the top layers of a large convolutional neural network provide a high-level descriptor of the visual content of the image. In this paper, we investigate the use of such descriptors (neural codes) within the image retrieval application. In the experiments with several standard retrieval benchmarks, we establish that neural codes perform competitively even when the convolutional neural network has been trained for an unrelated classification task (e.g.\ Image-Net). We also evaluate the improvement in the retrieval performance of neural codes, when the network is retrained on a dataset of images that are similar to images encountered at test time. We further evaluate the performance of the compressed neural codes and show that a simple PCA compression provides very good short codes that give state-of-the-art accuracy on a number of datasets. In general, neural codes turn out to be much more resilient to such compression in comparison other state-of-the-art descriptors. Finally, we show that discriminative dimensionality reduction trained on a dataset of pairs of matched photographs improves the performance of PCA-compressed neural codes even further. Overall, our quantitative experiments demonstrate the promise of neural codes as visual descriptors for image retrieval.